disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)

C30H24Ag2F6N8O6S2 — CID 139060498

IUPACdisilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(-c2ccn(Cc3ccncc3)n2)nc1.c1ccc(-c2ccn(Cc3ccncc3)n2)nc1
InChIInChI=1S/2C14H12N4.2CHF3O3S.2Ag/c2*1-2-7-16-13(3-1)14-6-10-18(17-14)11-12-4-8-15-9-5-12;2*2-1(3,4)8(5,6)7;;/h2*1-10H,11H2;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyIXWWDQNXVSVVJH-UHFFFAOYSA-L
MW986.43 g/mol
LogP4.87
Rot. Bonds6

About disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)

disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139060498) has the molecular formula C30H24Ag2F6N8O6S2 and a molecular weight of 986.43 g/mol. Its IUPAC name is disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namedisilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)
PubChem CID139060498
Molecular FormulaC30H24Ag2F6N8O6S2
Molecular Weight986.43 g/mol
Exact Mass983.93
IUPAC Namedisilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(-c2ccn(Cc3ccncc3)n2)nc1.c1ccc(-c2ccn(Cc3ccncc3)n2)nc1
InChIInChI=1S/2C14H12N4.2CHF3O3S.2Ag/c2*1-2-7-16-13(3-1)14-6-10-18(17-14)11-12-4-8-15-9-5-12;2*2-1(3,4)8(5,6)7;;/h2*1-10H,11H2;2*(H,5,6,7);;/q;;;;2*+1/p-2
InChIKeyIXWWDQNXVSVVJH-UHFFFAOYSA-L
XLogP4.87
TPSA201.60 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate) (CID 139060498) is disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ag+].[Ag+].c1ccc(-c2ccn(Cc3ccncc3)n2)nc1.c1ccc(-c2ccn(Cc3ccncc3)n2)nc1.
What is the InChIKey of disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)?
The InChIKey is IXWWDQNXVSVVJH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H12N4.2CHF3O3S.2Ag/c2*1-2-7-16-13(3-1)14-6-10-18(17-14)11-12-4-8-15-9-5-12;2*2-1(3,4)8(5,6)7;;/h2*1-10H,11H2;2*(H,5,6,7);;/q;;;;2*+1/p-2.
What are the key properties of disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate)?
disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 986.43 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;bis(2-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139060498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).